0 B14R1.3 CCc1ccc(cc1)CC(C(=O)O)N AB21663 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.3 CCc1ccc(cc1)C[C@@H](C(=O)O)N AB09426 [0,0,0,0,0,0|2,0,1]=3 2 B14R1.3 CCc1ccc(cc1)C[C@H](C(=O)O)N AB33358 [0,0,0,0,0,0|2,0,1]=3 3 B14R1.3 COc1ccc(cc1)CC(C(=O)O)N AB02503 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N AB00243 [0,0,0,0,0,0|1,0,1]=2 5 B14R1.3 C\C(=C/c1ccc(cc1)OC)\[N+](=O)[O-] AB03777 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.3 B(\C=C\c1ccc(cc1)OC)(O)O AB17446 [1,0,0,0,0,0|1,0,2]=4 7 B13R1.3 CC(=O)COc1ccc(cc1)OC AB16833 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.3 CNc1ccc(cc1)CCC(=O)O AB72168 [1,0,0,0,0,0|1,0,1]=3 9 B13R1.3 COc1ccc(cc1)CCC(=O)O AB00265 [1,0,0,0,0,0|0,0,1]=2 10 B13R1.3 c1cc(ccc1CCC(=O)O)C#N MB05759 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.3 c1cc(ccc1CCC(=O)O)C=O MB05763 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.3 c1cc(ccc1CCl)\C=C\C(=O)O MB09238 [1,0,0,0,0,0|2,0,1]=4 13 B13R1.3 c1cc(ccc1CO)\C=C\C(=O)O MB04671 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.5 COc1ccc(cc1)CC(=N)OC AB60937 [1,0,0,0,0,0|3,0,0]=4 15 B13R1.133 Cc1ccc(cc1)CC(C(=O)O)N AB21662 [1,0,0,0,0,0|1,0,1]=3 16 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N AB01742 [1,0,0,0,0,0|1,0,1]=3 17 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)Br MB05635 [1,0,0,0,0,0|1,0,0]=2 18 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Br AB00237 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 c1cc(ccc1CC(C(=O)O)N)Cl AB00241 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F AB00239 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br AB02494 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl AB02502 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O AB00245 [1,0,0,0,0,0|1,0,1]=3 24 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Cl AB03058 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)F AB02498 [1,0,0,0,0,0|2,0,1]=4 26 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O AB02505 [1,0,0,0,0,0|1,0,1]=3 27 B15R1.208 CCc1ccc(cc1)CC(CN)C(=O)O AB34783 [0,1,0,0,0,0|2,0,1]=4 28 B15R1.208 CCc1ccc(cc1)C[C@@H](CN)C(=O)O AB34786 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.208 CCc1ccc(cc1)C[C@H](CN)C(=O)O AB34790 [0,1,0,0,0,0|2,0,1]=4 30 B15R1.208 COc1ccc(cc1)CC(CN)C(=O)O AB12912 [0,1,0,0,0,0|1,0,1]=3 31 B15R1.208 COc1ccc(cc1)C[C@@H](CN)C(=O)O AB35080 [0,1,0,0,0,0|1,0,1]=3 32 B15R1.208 COc1ccc(cc1)C[C@H](CN)C(=O)O AB35082 [0,1,0,0,0,0|1,0,1]=3 33 B15R1.495 CC(C)c1ccc(cc1)CC(C(=O)O)N AB21664 [0,1,0,0,0,0|2,0,1]=4 34 B15R1.495 CC(C)c1ccc(cc1)C[C@@H](C(=O)O)N AB10063 [0,1,0,0,0,0|2,0,1]=4 35 B15R1.495 CC(C)c1ccc(cc1)C[C@H](C(=O)O)N AB33366 [0,1,0,0,0,0|2,0,1]=4 36 B15R2.4834 COc1ccc2c(c1)nc(o2)C(=O)O AB51020 [0,0,0,1,0,0|2,0,0]=3 37 B15R2.4834 COc1ccc2c(c1)oc(n2)C(=O)O AB57673 [0,0,0,1,0,0|1,0,1]=3 38 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB11989 [0,0,0,0,1,0|2,0,1]=4 39 B13R1.36 CCc1ccc(cc1)C(C(=O)O)N AB24615 [0,0,0,0,1,0|2,0,1]=4 40 B13R1.36 CCc1ccc(cc1)[C@@H](C(=O)O)N AB32689 [0,0,0,0,1,0|2,0,1]=4 41 B13R1.36 CCc1ccc(cc1)[C@H](C(=O)O)N AB32688 [0,0,0,0,1,0|2,0,1]=4 42 B13R1.36 COc1ccc(cc1)C(C(=O)O)N PB10070 [0,0,0,0,1,0|1,0,1]=3 43 B13R1.36 COc1ccc(cc1)[C@@H](C(=O)O)N AB32877 [0,0,0,0,1,0|1,0,1]=3 44 B13R1.36 COc1ccc(cc1)[C@H](C(=O)O)N AB32874 [0,0,0,0,1,0|1,0,1]=3 45 B15R1.205 CCc1ccc(cc1)CCC(C(=O)O)N AB33796 [0,0,0,0,0,1|2,0,1]=4 46 B15R1.205 CCc1ccc(cc1)CC[C@@H](C(=O)O)N AB33799 [0,0,0,0,0,1|2,0,1]=4 47 B15R1.205 CCc1ccc(cc1)CC[C@H](C(=O)O)N AB33797 [0,0,0,0,0,1|2,0,1]=4 48 B15R1.205 COc1ccc(cc1)CCC(C(=O)O)N AB34067 [0,0,0,0,0,1|1,0,1]=3 49 B15R1.205 COc1ccc(cc1)CC[C@@H](C(=O)O)N AB08618 [0,0,0,0,0,1|1,0,1]=3 50 B15R1.205 COc1ccc(cc1)CC[C@H](C(=O)O)N AB08621 [0,0,0,0,0,1|1,0,1]=3 51 B12R1.21 Cc1ccc(cc1)CCC(=O)O AB01198 [2,0,0,0,0,0|0,0,1]=3 52 B12R1.21 c1cc(ccc1CCC(=O)O)Br AB08447 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.21 c1cc(ccc1CCC(=O)O)Cl AB01196 [2,0,0,0,0,0|1,0,1]=4 54 B12R1.21 c1cc(ccc1CCC(=O)O)F AB02388 [2,0,0,0,0,0|1,0,1]=4 55 B12R1.21 c1cc(ccc1CCC(=O)O)N AB01235 [2,0,0,0,0,0|1,0,1]=4 56 B12R1.21 c1cc(ccc1CCC(=O)O)O AB00269 [2,0,0,0,0,0|0,0,1]=3 57 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br AB00374 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl AB00377 [2,0,0,0,0,0|1,0,1]=4 59 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F AB00375 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.71 COc1ccc(cc1)CCC=O AB06888 [2,0,0,0,0,0|0,0,1]=3 61 B12R1.71 COc1ccc(cc1)CCCO AB00287 [2,0,0,0,0,0|0,0,2]=4 62 B12R1.4 CC(=O)Cc1ccc(cc1)OC AB00957 [2,0,0,0,0,0|0,0,1]=3 63 B12R1.4 COc1ccc(cc1)CC(=N)N AB09931 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.4 COc1ccc(cn1)CC(=O)O AB55204 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.4 COc1cnc(cn1)CC(=O)O AB69887 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.4 c1cc(ccc1CC(=O)O)CN AB17066 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.43 c1ccc(cc1)CC(C(=O)O)N AB02573 [2,0,0,0,0,0|1,0,1]=4 68 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N AB02575 [2,0,0,0,0,0|1,0,1]=4 69 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Br AB04813 [2,0,0,0,0,0|1,0,1]=4 70 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N AB00345 [2,0,0,0,0,0|1,0,1]=4 71 B14R1.2 CCc1ccc(cc1)C(CC(=O)O)N AB10605 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.2 CCc1ccc(cc1)[C@@H](CC(=O)O)N AB35814 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.2 CCc1ccc(cc1)[C@H](CC(=O)O)N AB23537 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.2 COc1ccc(cc1)C(CC(=O)O)N AB04473 [1,1,0,0,0,0|0,0,1]=3 75 B14R1.2 COc1ccc(cc1)[C@@H](CC(=O)O)N AB08689 [1,1,0,0,0,0|0,0,1]=3 76 B14R1.2 COc1ccc(cc1)[C@H](CC(=O)O)N AB17827 [1,1,0,0,0,0|0,0,1]=3 77 B14R1.536 Cc1ccc(cc1)CC(CN)C(=O)O AB12910 [1,1,0,0,0,0|1,0,1]=4 78 B14R1.536 Cc1ccc(cc1)C[C@@H](CN)C(=O)O AB34772 [1,1,0,0,0,0|1,0,1]=4 79 B14R1.536 Cc1ccc(cc1)C[C@H](CN)C(=O)O AB34773 [1,1,0,0,0,0|1,0,1]=4 80 B14R1.536 c1cc(ccc1CC(CN)C(=O)O)O AB12896 [1,1,0,0,0,0|1,0,1]=4 81 B14R1.536 c1cc(ccc1C[C@@H](CN)C(=O)O)O AB35027 [1,1,0,0,0,0|1,0,1]=4 82 B14R1.536 c1cc(ccc1C[C@H](CN)C(=O)O)O AB35031 [1,1,0,0,0,0|1,0,1]=4 83 B14R1.6049 Cc1cc(ccc1CC(C(=O)O)N)O AB15695 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.7626 C[C@@](Cc1ccc(cc1)O)(C(=O)O)N AB43498 [1,1,0,0,0,0|1,0,1]=4 85 B14R1.7626 C[C@](Cc1ccc(cc1)O)(C(=O)O)N AB02561 [1,1,0,0,0,0|1,0,1]=4 86 B14R1.8 COc1ccc(cc1)C(CN)C(=O)O AB12909 [0,1,0,0,1,0|1,0,1]=4 87 B14R1.213 CC(c1ccc(cc1)OC)(C(=O)O)O AB01489 [0,1,0,0,1,0|0,0,2]=4 88 B14R1.213 COc1ccc(cc1)C(C(=O)O)(F)F AB62671 [0,1,0,0,1,0|1,0,1]=4 89 B16R1.230 COc1ccc(cc1)CS(=O)(=O)CC(=O)O AB16729 [0,1,0,0,0,1|1,0,0]=3 90 B16R1.4958 CCOC(=O)C(Cc1ccc(cc1)OC)O AB28655 [0,2,0,0,0,0|0,0,2]=4 91 B16R1.4958 CCOC(=O)[C@@H](Cc1ccc(cc1)OC)O AB29311 [0,2,0,0,0,0|0,0,2]=4 92 B16R1.4958 CCOC(=O)[C@H](Cc1ccc(cc1)OC)O AB29314 [0,2,0,0,0,0|0,0,2]=4 93 B16R1.20196 COc1ccc(c(c1)OC)CC(C(=O)O)N AB33589 [0,2,0,0,0,0|1,0,1]=4 94 B16R1.20196 COc1ccc(c(c1)OC)C[C@@H](C(=O)O)N AB33594 [0,2,0,0,0,0|1,0,1]=4 95 B16R1.20196 COc1ccc(c(c1)OC)C[C@H](C(=O)O)N AB33593 [0,2,0,0,0,0|1,0,1]=4 96 B16R1.4274 COc1ccc(cc1OC)CC(C(=O)O)N AB01633 [0,2,0,0,0,0|1,0,1]=4 97 B16R1.4274 COc1ccc(cc1OC)C[C@H](C(=O)O)N AB33629 [0,2,0,0,0,0|1,0,1]=4 98 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 AB00149 [1,0,0,1,0,0|1,0,1]=4 99 B14R2.134 COc1ccc2ccc(=O)[nH]c2c1 MB07766 [1,0,0,1,0,0|1,0,1]=4 100 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 AB00148 [1,0,0,1,0,0|1,0,1]=4 101 B14R2.2332 COc1ccc2c(c1)OCC(=O)C2 AB56632 [1,0,0,1,0,0|0,0,1]=3 102 B14R2.2332 COc1ccc2c(c1)OCC(=O)N2 AB23658 [1,0,0,1,0,0|1,0,1]=4 103 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 MB00814 [1,0,0,1,0,0|1,0,0]=3 104 B14R2.3304 COc1ccc2c(c1)nc(o2)C=O AB49189 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.3304 COc1ccc2c(c1)oc(n2)C=O AB49190 [1,0,0,1,0,0|1,0,1]=4 106 B14R2.4529 Cc1ccc2c(c1)cc(o2)C(=O)O MB02658 [1,0,0,1,0,0|2,0,0]=4 107 B14R2.4529 Cc1ccc2c(c1)nc(o2)C(=O)O AB57689 [1,0,0,1,0,0|2,0,0]=4 108 B14R2.4529 Cc1ccc2c(c1)oc(n2)C(=O)O AB57685 [1,0,0,1,0,0|1,0,1]=4 109 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O MB05116 [1,0,0,1,0,0|0,0,2]=4 110 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [1,0,0,1,0,0|1,0,1]=4 111 B16R2.50 COc1ccc(cc1)C2C(=O)NC(=O)N2 AB04930 [0,0,0,1,0,1|1,0,0]=3 112 B16R2.7476 COc1ccc2c(c1)C=C(CO2)C(=O)O AB04730 [0,0,0,1,0,1|1,0,0]=3 113 B16R2.7476 COc1ccc2c(c1)CC(CO2)C(=O)O AB18720 [0,0,0,1,0,1|1,0,1]=4 114 B16R2.7476 COc1ccc2c(c1)C[C@@H](CO2)C(=O)O AB56528 [0,0,0,1,0,1|1,0,1]=4 115 B16R2.7476 COc1ccc2c(c1)C[C@H](CO2)C(=O)O AB56545 [0,0,0,1,0,1|1,0,1]=4 116 B16R2.7476 COc1ccc2c(c1)OC(CC2)C(=O)O AB56693 [0,0,0,1,0,1|0,0,2]=4 117 B16R2.7476 COc1ccc2c(c1)cc(cn2)C(=O)O AB45135 [0,0,0,1,0,1|1,0,1]=4 118 B16R2.6257 c1cc2c(cc1CC(C(=O)O)N)OCO2 AB06706 [0,1,0,1,0,0|1,0,1]=4 119 B16R2.6257 c1cc2c(cc1C[C@@H](C(=O)O)N)OCO2 AB33635 [0,1,0,1,0,0|1,0,1]=4 120 B16R2.6257 c1cc2c(cc1C[C@H](C(=O)O)N)OCO2 AB33632 [0,1,0,1,0,0|1,0,1]=4 121 B16R2.7486 COc1ccc2c(c1)CCC(C2)C(=O)O AB19260 [0,1,0,1,0,0|1,0,1]=4 122 B16R2.7486 COc1ccc2c(c1)OCC(=C2)C(=O)O AB18666 [0,1,0,1,0,0|0,0,2]=4 123 B16R2.7486 COc1ccc2c(c1)OCC(C2)C(=O)O AB06511 [0,1,0,1,0,0|0,0,2]=4 124 B16R2.7486 COc1ccc2c(c1)ccc(n2)C(=O)O AB45269 [0,1,0,1,0,0|2,0,0]=4 125 B16R2.7486 COc1ccc2cc(cnc2c1)C(=O)O AB52439 [0,1,0,1,0,0|1,0,1]=4 126 B12R1.5 CCc1ccc(cc1)C(=O)C=O AB48659 [1,0,0,0,1,0|1,0,0]=3 127 B12R1.5 COc1ccc(cc1)C(=O)C#N MB03942 [1,0,0,0,1,0|1,0,1]=4 128 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05250 [1,0,0,0,1,0|0,0,0]=2 129 B12R1.5 COc1ccc(cc1)C(=O)C=O AB05286 [1,0,0,0,1,0|0,0,0]=2 130 B12R1.5 CSc1ccc(cc1)C(=O)C=O AB48690 [1,0,0,0,1,0|0,1,0]=3 131 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB14104 [1,0,0,0,1,0|2,0,0]=4 132 B12R1.5 c1cc(ccc1C#N)C(=O)C=O AB44430 [1,0,0,0,1,0|2,0,0]=4 133 B12R1.5 c1cc(ccc1CN)C(=O)C=O AB23361 [1,0,0,0,1,0|2,0,0]=4 134 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N AB06684 [1,0,0,0,1,0|1,0,1]=4 135 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)N AB32672 [1,0,0,0,1,0|1,0,1]=4 136 B12R1.20 c1cc(ccc1C(C(=O)O)N)O AB02671 [1,0,0,0,1,0|1,0,1]=4 137 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O AB00341 [1,0,0,0,1,0|1,0,1]=4 138 B14R1.679 Cc1ccc(cc1)CCC(C(=O)O)N AB33782 [1,0,0,0,0,1|1,0,1]=4 139 B14R1.679 Cc1ccc(cc1)CC[C@@H](C(=O)O)N AB33785 [1,0,0,0,0,1|1,0,1]=4 140 B14R1.679 Cc1ccc(cc1)CC[C@H](C(=O)O)N AB33784 [1,0,0,0,0,1|1,0,1]=4 141 B14R1.679 c1cc(ccc1CCC(C(=O)O)N)O AB14703 [1,0,0,0,0,1|1,0,1]=4 142 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)O AB15550 [1,0,0,0,0,1|1,0,1]=4 143 B14R1.679 c1cc(ccc1CC[C@H](C(=O)O)N)O AB34025 [1,0,0,0,0,1|1,0,1]=4 144 B14R1.75 COc1cccc(c1)CC(C(=O)O)N AB21645 [0,0,0,0,1,1|1,0,1]=4 145 B14R1.75 COc1cccc(c1)C[C@@H](C(=O)O)N AB02001 [0,0,0,0,1,1|1,0,1]=4 146 B14R1.75 COc1cccc(c1)C[C@H](C(=O)O)N AB15918 [0,0,0,0,1,1|1,0,1]=4